1-(3-bromophenyl)-2-cyclohexylsulfinylethanone

C14H17BrO2S — CID 64639949

IUPAC1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
SMILESO=C(CS(=O)C1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKeyDAZYDXAOXCUPGF-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone

1-(3-bromophenyl)-2-cyclohexylsulfinylethanone (PubChem CID 64639949) has the molecular formula C14H17BrO2S and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
PubChem CID64639949
Molecular FormulaC14H17BrO2S
Molecular Weight329.26 g/mol
Exact Mass328.01
IUPAC Name1-(3-bromophenyl)-2-cyclohexylsulfinylethanone
SMILESO=C(CS(=O)C1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2
InChIKeyDAZYDXAOXCUPGF-UHFFFAOYSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-2-cyclopentylsulfinylethanone
CID 64639173
1-(3-bromophenyl)-2-(3-methylcyclohexyl)sulfinylethanone
CID 64635308
1-(3-chlorophenyl)-2-cyclohexylsulfinylethanone
CID 64640953
1-(3-bromophenyl)-2-(cyclopentylmethylsulfinyl)ethanone
CID 64640185
2-cyclopentylsulfinyl-1-phenylethanone
CID 64639576
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769
1-(3-bromophenyl)-2-cyclohexylsulfanylethanone
CID 60645355
1-(4-chlorophenyl)-2-cyclopentylsulfinylethanone
CID 64639174
2-cyclohexylsulfinyl-1-(4-propan-2-ylphenyl)ethanone
CID 64639953
[2-(3-bromophenyl)-2-oxoethyl]-cyclohexyl-methylazanium
CID 2408697
1-(3-bromophenyl)-2-propan-2-ylsulfinylethanone
CID 64639156
1-(3-bromophenyl)-2-(cyclopentylmethylsulfanyl)ethanone
CID 63119723

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone?
The IUPAC name of 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone (CID 64639949) is 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone is O=C(CS(=O)C1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone?
The InChIKey is DAZYDXAOXCUPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2S/c15-12-6-4-5-11(9-12)14(16)10-18(17)13-7-2-1-3-8-13/h4-6,9,13H,1-3,7-8,10H2.
What are the key properties of 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone?
1-(3-bromophenyl)-2-cyclohexylsulfinylethanone has a molecular weight of 329.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-cyclohexylsulfinylethanone is sourced from PubChem (CID 64639949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).